(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine

C16H26N4O3S — CID 124986591

IUPAC(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
SMILESCc1cc([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)nc(C)n1
InChIInChI=1S/C16H26N4O3S/c1-12-10-15(18-13(2)17-12)16-11-19(8-9-23-16)14-4-6-20(7-5-14)24(3,21)22/h10,14,16H,4-9,11H2,1-3H3/t16-/m1/s1
InChIKeyNZSZXHJUYYLJFY-MRXNPFEDSA-N
MW354.48 g/mol
LogP0.89
Rot. Bonds3

About (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine

(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine (PubChem CID 124986591) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
PubChem CID124986591
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
SMILESCc1cc([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)nc(C)n1
InChIInChI=1S/C16H26N4O3S/c1-12-10-15(18-13(2)17-12)16-11-19(8-9-23-16)14-4-6-20(7-5-14)24(3,21)22/h10,14,16H,4-9,11H2,1-3H3/t16-/m1/s1
InChIKeyNZSZXHJUYYLJFY-MRXNPFEDSA-N
XLogP0.89
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
CID 124948100
6-(4-cyclopentylmorpholin-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 110271821
2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethylmorpholine-4-sulfonamide
CID 110115941
6-[(2R)-4-cyclohexylmorpholin-2-yl]-2-methylpyrimidin-4-amine
CID 95847530
2-(2,6-dimethylpyrimidin-4-yl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 110115953
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 125009252
4-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-1-methylsulfonylpiperidine
CID 124997678
4-chloro-2-methyl-6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidine
CID 175662618
2-[methyl-[2-methyl-6-[(2R)-4-methylsulfonylmorpholin-2-yl]pyrimidin-4-yl]amino]ethanol
CID 95847738
2-(2,6-dimethylpyrimidin-4-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 110115918
[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110115924
(2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
CID 125016684

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine?
The IUPAC name of (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine (CID 124986591) is (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine.
What is the SMILES notation for (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine?
The canonical SMILES for (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine is Cc1cc([C@H]2CN(C3CCN(S(C)(=O)=O)CC3)CCO2)nc(C)n1.
What is the InChIKey of (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine?
The InChIKey is NZSZXHJUYYLJFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-12-10-15(18-13(2)17-12)16-11-19(8-9-23-16)14-4-6-20(7-5-14)24(3,21)22/h10,14,16H,4-9,11H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine?
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine has a molecular weight of 354.48 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine is sourced from PubChem (CID 124986591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).